• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.792-796
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• 2003

Polychlorinated dibenzo-p-dioxins (PCDDs) are extremely toxic and persistent environmental pollutants. Their chemical reactivities and other physicochemical/biological properties show a strong dependence on the chlorination pattern. With increasing the number of chlorines, dioxin congeners become more electronegative and gain higher electron affinities. The vertical electron affinities (VEA) are related with the LUMO energies of neutral molecules. LUMO energies of all PCDD congeners were calculated at the B3LYP/6-31G** level and those of some selected congeners at the level of B3LYP/6-311G**//B3LYP/6-31G** and B3LYP/cc-pvtz/ /B3LYP/6-31G**. The total energies of neutral and anionic species for dibenzo-p-dioxins (DD), 1469-TCDD, 2378-TCDD, and OCDD were calculated at the level of B3LYP/6-31G**, B3LYP/aug-cc-pvdz, and B3LYP/ aug-cc-pvtz//B3LYP/6-31G**. By using the four congeners with D2h symmetry as reference molecules, we could estimate VEA (B3LYP/aug-cc-pvdz) of 75 PCDD congeners based on the linear correlations between LUMO energy and VEA (B3LYP/6-31G**) and between VEA (B3LYP/6-31G**) and VEA (B3LYP/aug-ccpvtz// B3LYP/6-31G**). Results show that all PCDDs with the number of Cl ≥ 3 have positive electron affinities. The PCDD electron affinity values provided in this work can be a useful data set in understanding the congener-specific reactivities of dioxins in various environmental media.

• Journal of Welding and Joining
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• v.30 no.6
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• pp.56-61
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• 2012

Magnesium alloy sheet which is commercially available in the market presently is AZ31B, a Mg-Al-Zn three elements alloy. AZ31B is used by being classified into AZ31B-H24 and AZ31B-O depending on temper designation. In this study, AZ31B-H24 and AZ31B-O alloy sheets with 1.25mm thickness were butt-welded using CW Nd:YAG laser. And the effect of materials on mechanical properties was investigated by tensile and hardness tests. As a result of this study, regardless of materials, the butt-welded joint did not show a significant difference in tensile strength and hardness values. However, compared with the basemetal, the AZ31B-O showed more outstanding mechanical properties than AZ31B-H24, and that is because H24 material lost the effect of work hardening during welding.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.853-858
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• 2003

The reaction mechanism of the pyrolysis of sulphonyl oximes ($CH_3-C_6H_4-S(O)_2O-N=C(H)-C_6H_4Y$), in the gas phase is studied theoretically at HF/3-21G, ONIOM (B3LYP/6-31G**:HF/3-21G) and ONIOM (MP2/6- 31G**:HF/3-21G) levels. All the calculations show that the thermal decomposition of sulphonyl oximes is a concerted asynchronous process via a six-membered cyclic transition state. The activation energies (Ea) predicted by ONIOM (B3LYP/6-31G**: HF/3-21G) method are in good agreement with the experimental results for a series of tosyl arenecarboxaldoximes. Five para substituents, Y = $OCH_3$, $CH_3$, H, Cl, and $NO_2$, are employed to investigate the substituent effect on the elimination reaction. Linear Hammett correlations are obtained in all calculations in contrast to the experimental finding.

• Biomolecules & Therapeutics
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• v.5 no.4
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• pp.369-375
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• 1997

General pharmacological effects of SB-31$^{R}$, the extracts of Pulsatilla koreana, were investigated in mice, rats and guinea-pigs. Intravenous injection of SB-31 (3 and 6 ml/kg) produced almost no effect on central nervous system no effects on the general symptom and behaviors of mice, spontaneous locomotor activity, pentobarbital- induced sleeping time , rotared performance , electroshock and pentylenetertrazole -induced seizures, acetic acid-induced writhing and normal body temperature in mice. SB-31 showed little effects on the spontaneous movement of the isolated ileum and contraction induced by agonists in isolated ileum, suggesting no influence on autonomic nervous system. Administration of SB-31 also did not show any effect on blood pressure in conscious rats. However, a slight decrease in heart rate was observed at high doses (6 and 10 ml/kg) of SB-31 in conscious rats. Similarly, a slight increase in respiratory rate was observed at 6 m1/kg of SB-31 in anesthetized rats. SB-31 did not produce any effect at the dose of 3 ml/kg, but showed a tendency to increase the urinary volume at 6 ml/kg, and produced a decrease in urinary excretions of N $a_{+}$and $K_{+}$at 6 ml/kg. However, transport capacity within the gastrointestinal tract and the secretion of the gastric juice were not influenced by 6 ml/kg of SB-31. In conclusion, these results suggest that SB-31 did not pro-duce any acute effects on the central nervous system, autonomic nervous system, respiratory and circulatory systems, digestive system and kidney function at the dose of below 3 ml/kg.ml/kg.

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1773-1775
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• 2010

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1800-1802
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• 2010

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1757-1760
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• 2010

• Journal of Welding and Joining
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• v.30 no.5
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• pp.22-26
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• 2012

Butt-joints of A6061-T6 and AZ31 plates were successfully manufactured by using a friction stir welding method. Off-set free joints and off-set joints were fabricated to investigate the effect of the tool plunge position on the mechanical properties of the joints. Hardness test, tensile test and charpy impact test was performed to evaluate the mechanical properties of the joints. Off-set condition resulted in increase of mechanical properties of the joints. The variation of the hardness distribution in the SZ was also stabilized in the off-set condition. Tensile strength of the off-set joint was about 85% against to that of the AZ31 base metal. Impact absorption energy by Charpy-Impact-Test of the off-set joint also increased by almost 2 times against to that of the AZ31 base metal.

• Journal of Welding and Joining
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• v.30 no.6
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• pp.98-105
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• 2012

The focus of this investigation is to evaluate the effect of joining parameter on the microstructure and mechanical properties of welds produced by friction stir lap welding. The dissimilar Al alloys, KS5J32 and AA6K31, were joined by friction stir lap welding technique under several welding conditions, and KS5J32 alloy was placed on the top of AA6K31 alloy. The tool rotation speeds were 1000, 1250, and 1500rpm, and the welding speeds were 100, 300, 500, 700mm/min, respectively. The results showed that two shapes of nugget, such as onion ring and irregular vortex type, were observed with various revolutionary pitch. In all welding conditions, fracture occurred at the soften region of bottom sheet(AA6K31) and the strengths were 64~78% of those of base metal. Fractured positions were classified into three types : HAZ, triple point, void depending on the revolutionary pitch. The actual thickness of specimen at the fractured location was decreased with decreasing heat input. A linear relationship exists between the effective thickness of fractured position and peak load.

• Journal of Welding and Joining
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• v.29 no.2
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• pp.72-79
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• 2011

The scope of this investigation is to evaluate the effect of joining parameters on the microstructural features and mechanical properties of dissimilar aluminum alloys, 1mm-thickness fixing AA6K31 at the top position and fixing AA5J32 at the bottom position. The friction stir lap welds were studied under various welding conditions, rotation speed of 1000, 1250, 1500rpm and welding speed of 100, 300, 500, 700mm/min, respectively. Mechanical test has been investigated in terms of tensile shear test and hardness test. The results showed that three type nugget shapes such as onion ring, zigzag type, hooking with the void, have been observed with revolutionary pitch. All welding conditions fractured at the HAZ of top plate, A6K31 and also the strength compare with base metal of lap joints were low efficiency, 52~63%. The thickness of fractured position was decreased with the lower heat input conditions. The relationships were excellent due to linear between the effective thickness of fractured position and peak load. The fractured position was the interface between joint area and not joint area. Also the strength efficiency compared with base metal was lower than decreasing rate of thickness because the hardness was decreased at fractured position due to softened material.